SCHEMBL23402091

SCHEMBL23402091

CCCc1c(-c2ccccc2C)[nH]n(C(C)(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYBB P04839 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.34
BRD4 O60885 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23398418 0.93 LMNA (0.40) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL23399813 0.89 MAPT (0.43) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL23402176 0.83 MAPT (0.43) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL23403265 0.82 CYBB (0.55) MAPTLMNAHTTSMN1; SMN2CYBB
SCHEMBL23399411 0.82 TSHR (0.40) CYBBNOX4NOX1ALDH1A1TSHR
SCHEMBL23400310 0.81 CYBB (0.40) MAPTCYBBNOX4NOX1TSHR
SCHEMBL23403121 0.80 MAPT (0.47) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL23400962 0.80 CYBB (0.39) CYBBNOX4NOX1ALDH1A1TSHR
SCHEMBL23402597 0.78 NOX4 (0.46) MAPTLMNAHTTCYBBNOX4
SCHEMBL23398680 0.78 CYBB (0.38) MAPTHTTSMN1; SMN2CYBBNOX4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed